SCHEMBL5211835

SCHEMBL5211835

c1ccc2nc(-c3cn[nH]c3)cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.59
▸ ILK Q13418 1/20 0.57
▸ AKT1 P31749 1/20 0.55
▸ AKT2 P31751 1/20 0.55
▸ NPC1 O15118 9/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ BCHE P06276 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ FGFR1 P11362 3/20 0.51
▸ FGFR2 P21802 3/20 0.51
▸ FGFR3 P22607 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29590784 1.00 MAPK1 (0.59) MAPK1ILKAKT1AKT2NPC1
SCHEMBL22092725 0.81 TGFBR1 (0.49) MAPK1ILKAKT1AKT2MAPT
SCHEMBL12178898 0.79 TLR9 (0.55) MAPK1NPC1RAB9AFGFR1FGFR2
SCHEMBL29400331 0.79 TLR9 (0.63) MAPK1ILKNPC1RAB9AFGFR1
SCHEMBL30646549 0.79 MAPK1 (0.52) MAPK1ILKBCHEMAPTFGFR1
SCHEMBL14833277 0.79 MAPK1 (0.52) MAPK1ILKAKT1AKT2FGFR1
SCHEMBL2592957 0.79 MAPK1 (0.52) MAPK1FGFR1FGFR2FGFR3KDR
SCHEMBL19749836 0.79 MAPK1 (0.52) MAPK1FGFR1FGFR2FGFR3KDR
SCHEMBL29590529 0.79 MAPK1 (0.52) MAPK1ILKAKT1AKT2FGFR1
SCHEMBL16642057 0.79 MAPK1 (0.52) MAPK1FGFR1FGFR2FGFR3KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 — — US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 — — CN disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
EP-2694481-B1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2015-12-30 — — EP disclosed
US-8809333-B2 Imidazole, pyrazole, and triazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-08-19 — — US disclosed
EP-2694481-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 — — EP disclosed
US-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2014-02-06 — — US disclosed
CN-103492368-A imidazole, pyrazole and thiazole derivatives as antibacterial agents PFIZER 2014-01-01 — — CN disclosed
WO-2012137099-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 — — WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 — — EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 MAPK1 3389/4885ILK 3833/4885AKT1 1188/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MAPK1 3389/4885ILK 3833/4885AKT1 1188/4885
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL MAPK1 3116/4885ILK 4774/4885AKT1 3490/4885
US-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents AADAC, TPX2, NLRP3 MAPK1 2125/4885ILK 1727/4885AKT1 3941/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MAPK1 2492/4885ILK 3534/4885AKT1 1089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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